5-ethyl-2-(methoxymethyl)oxane

C9H18O2 — CID 59760612

IUPAC5-ethyl-2-(methoxymethyl)oxane
SMILESCCC1CCC(COC)OC1
InChIInChI=1S/C9H18O2/c1-3-8-4-5-9(7-10-2)11-6-8/h8-9H,3-7H2,1-2H3
InChIKeyUEGFOMXIMHSWAM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds3

About 5-ethyl-2-(methoxymethyl)oxane

5-ethyl-2-(methoxymethyl)oxane (PubChem CID 59760612) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-ethyl-2-(methoxymethyl)oxane.

Molecular Properties

Compound Name5-ethyl-2-(methoxymethyl)oxane
PubChem CID59760612
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-ethyl-2-(methoxymethyl)oxane
SMILESCCC1CCC(COC)OC1
InChIInChI=1S/C9H18O2/c1-3-8-4-5-9(7-10-2)11-6-8/h8-9H,3-7H2,1-2H3
InChIKeyUEGFOMXIMHSWAM-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methoxymethyl)oxane?
The IUPAC name of 5-ethyl-2-(methoxymethyl)oxane (CID 59760612) is 5-ethyl-2-(methoxymethyl)oxane.
What is the SMILES notation for 5-ethyl-2-(methoxymethyl)oxane?
The canonical SMILES for 5-ethyl-2-(methoxymethyl)oxane is CCC1CCC(COC)OC1.
What is the InChIKey of 5-ethyl-2-(methoxymethyl)oxane?
The InChIKey is UEGFOMXIMHSWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-8-4-5-9(7-10-2)11-6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-(methoxymethyl)oxane?
5-ethyl-2-(methoxymethyl)oxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methoxymethyl)oxane is sourced from PubChem (CID 59760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).